Structure of PDB 5yeq Chain B Binding Site BS01

Receptor Information
>5yeq Chain B (length=329) Species: 2285 (Sulfolobus acidocaldarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKIYTDKDVSLDVIKEKRVAVLGYGSQGRAWALNLRDSGIKVSVGLEREG
NSWKQAENDGFKPLRTEEAVRNSDIIIFLLPDMIQRTVYLERVKPYLKEG
MDLVFAHGFNIHYRLIEPPSNVDVYMIAPKAPGPIVREYFAKGGGVPALV
ATYQDHSGKALQKALAVAKAIGATRAGVIETTFKEETETDLFGEQVDLVG
GVMQLMRYAFQTLVEAGYQPEVAYFETINEMKLIVDLVYEKGFSGMLTAV
SDTAKYGGMTVGKMVIDESVKERMKKALDNIRSGKFAEKWVEEYGKGANT
IKEGMKEVDNSTEEKVGRSLRDIILRGKP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5yeq Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5yeq NADH/NADPH bi-cofactor-utilizing and thermoactive ketol-acid reductoisomerase from Sulfolobus acidocaldarius
Resolution1.75 Å
Binding residue
(original residue number in PDB)		E227 E231
Binding residue
(residue number reindexed from 1)		E226 E230
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5yeq, PDBe:5yeq, PDBj:5yeq
PDBsum5yeq
PubMed29739976
UniProtQ4J8K9|ILVC_SULAC Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)

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